(2R)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-pyrrol-1-ylpropanamide

C19H18FN3O2 — CID 95197720

IUPAC(2R)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-pyrrol-1-ylpropanamide
SMILESC[C@H](C(=O)NCc1cccnc1Oc1ccccc1F)n1cccc1
InChIInChI=1S/C19H18FN3O2/c1-14(23-11-4-5-12-23)18(24)22-13-15-7-6-10-21-19(15)25-17-9-3-2-8-16(17)20/h2-12,14H,13H2,1H3,(H,22,24)/t14-/m1/s1
InChIKeyILXHMIRVUOUOKO-CQSZACIVSA-N
MW339.37 g/mol
LogP3.69
Rot. Bonds6

About (2R)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-pyrrol-1-ylpropanamide

(2R)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-pyrrol-1-ylpropanamide (PubChem CID 95197720) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is (2R)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-pyrrol-1-ylpropanamide.

Molecular Properties

Compound Name(2R)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-pyrrol-1-ylpropanamide
PubChem CID95197720
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name(2R)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-pyrrol-1-ylpropanamide
SMILESC[C@H](C(=O)NCc1cccnc1Oc1ccccc1F)n1cccc1
InChIInChI=1S/C19H18FN3O2/c1-14(23-11-4-5-12-23)18(24)22-13-15-7-6-10-21-19(15)25-17-9-3-2-8-16(17)20/h2-12,14H,13H2,1H3,(H,22,24)/t14-/m1/s1
InChIKeyILXHMIRVUOUOKO-CQSZACIVSA-N
XLogP3.69
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-(dimethylamino)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropanamide
CID 95394220
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-hydroxypropanamide
CID 56738262
4-acetamido-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]butanamide
CID 56739016
(2R)-2-amino-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]propanamide
CID 56759225
(2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-hydroxy-3-methylbutanamide
CID 95219679
N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-2-imidazol-1-ylpropanamide
CID 45171969
4-ethenyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]benzamide
CID 56747430
N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 25281555
3-acetyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide
CID 56738366
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-imidazol-1-ylacetamide
CID 26412943
(2S)-1-acetyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 42198821
N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 56752779

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-pyrrol-1-ylpropanamide?
The IUPAC name of (2R)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-pyrrol-1-ylpropanamide (CID 95197720) is (2R)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-pyrrol-1-ylpropanamide.
What is the SMILES notation for (2R)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-pyrrol-1-ylpropanamide?
The canonical SMILES for (2R)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-pyrrol-1-ylpropanamide is C[C@H](C(=O)NCc1cccnc1Oc1ccccc1F)n1cccc1.
What is the InChIKey of (2R)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-pyrrol-1-ylpropanamide?
The InChIKey is ILXHMIRVUOUOKO-CQSZACIVSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-14(23-11-4-5-12-23)18(24)22-13-15-7-6-10-21-19(15)25-17-9-3-2-8-16(17)20/h2-12,14H,13H2,1H3,(H,22,24)/t14-/m1/s1.
What are the key properties of (2R)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-pyrrol-1-ylpropanamide?
(2R)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-pyrrol-1-ylpropanamide has a molecular weight of 339.37 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-pyrrol-1-ylpropanamide is sourced from PubChem (CID 95197720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).